8-tert-butyl-3,3,5-trimethyl-2,4-dihydro-1H-pyrido[4,3-b]indole

C18H26N2 — CID 84743131

IUPAC8-tert-butyl-3,3,5-trimethyl-2,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCn1c2c(c3cc(C(C)(C)C)ccc31)CNC(C)(C)C2
InChIInChI=1S/C18H26N2/c1-17(2,3)12-7-8-15-13(9-12)14-11-19-18(4,5)10-16(14)20(15)6/h7-9,19H,10-11H2,1-6H3
InChIKeyIETHFNZEDIAOOL-UHFFFAOYSA-N
MW270.42 g/mol
LogP3.90
Rot. Bonds

About 8-tert-butyl-3,3,5-trimethyl-2,4-dihydro-1H-pyrido[4,3-b]indole

8-tert-butyl-3,3,5-trimethyl-2,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 84743131) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 8-tert-butyl-3,3,5-trimethyl-2,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name8-tert-butyl-3,3,5-trimethyl-2,4-dihydro-1H-pyrido[4,3-b]indole
PubChem CID84743131
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name8-tert-butyl-3,3,5-trimethyl-2,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCn1c2c(c3cc(C(C)(C)C)ccc31)CNC(C)(C)C2
InChIInChI=1S/C18H26N2/c1-17(2,3)12-7-8-15-13(9-12)14-11-19-18(4,5)10-16(14)20(15)6/h7-9,19H,10-11H2,1-6H3
InChIKeyIETHFNZEDIAOOL-UHFFFAOYSA-N
XLogP3.90
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-3,3,5-trimethyl-2,4-dihydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 8-tert-butyl-3,3,5-trimethyl-2,4-dihydro-1H-pyrido[4,3-b]indole (CID 84743131) is 8-tert-butyl-3,3,5-trimethyl-2,4-dihydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 8-tert-butyl-3,3,5-trimethyl-2,4-dihydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 8-tert-butyl-3,3,5-trimethyl-2,4-dihydro-1H-pyrido[4,3-b]indole is Cn1c2c(c3cc(C(C)(C)C)ccc31)CNC(C)(C)C2.
What is the InChIKey of 8-tert-butyl-3,3,5-trimethyl-2,4-dihydro-1H-pyrido[4,3-b]indole?
The InChIKey is IETHFNZEDIAOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-17(2,3)12-7-8-15-13(9-12)14-11-19-18(4,5)10-16(14)20(15)6/h7-9,19H,10-11H2,1-6H3.
What are the key properties of 8-tert-butyl-3,3,5-trimethyl-2,4-dihydro-1H-pyrido[4,3-b]indole?
8-tert-butyl-3,3,5-trimethyl-2,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 270.42 g/mol, XLogP of 3.90, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-3,3,5-trimethyl-2,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 84743131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).